AB INITIO MODELING SILICON NANOTUBE’S SURFACE STRUCTURE

U s m a n o v a S A, Ma Pei, A k b a r o v K h

Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi · 2020-yil

Annotatsiya

The geometric structure of the surface of silicon nanotube determines its unique properties. The new dual nature of the surface structure of a silicon nanotube depending on the tube type was revealed by ab-initio modeling using the density functional theory. The rippled structure of the surface turned out to be the most energetically favorable form for the (n, n) type of the tube, and the smooth shape of the nanotube walls was the main stable form for the nanotubes of the (n, 0) type. The dual nature of the surface structure of silicon nanotubes is explained by the dependence of the formation of -bonds on the tube surface on the mutual position of unhybridized p-orbitals of silicon atoms

Maqola ma’lumotlari
MualliflarU s m a n o v a S A, Ma Pei, A k b a r o v K h
JurnalSamarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi
Nashr sanasi2020-06-03
Jild5
Son123/2
Betlar1-10
Tilen
DOI10.59251/2181-1296.v5.1232.1246

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